General Information of the Compound
| Compound ID |
CP0341777
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| Compound Name |
4-(4-fluorophenyl)sulfonyl-5-(2-methylpropylsulfonyl)-2-thiophen-2-yl-1,3-oxazole
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| Structure |
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| Formula |
C17H16FNO5S3
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| Molecular Weight |
429.516
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| Canonical SMILES |
CC(C)CS(=O)(=O)c1oc(nc1S(=O)(=O)c1ccc(F)cc1)-c1cccs1
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| InChI |
InChI=1S/C17H16FNO5S3/c1-11(2)10-26(20,21)17-16(19-15(24-17)14-4-3-9-25-14)27(22,23)13-7-5-12(18)6-8-13/h3-9,11H,10H2,1-2H3
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| InChIKey |
KJOLHRKKRPLZDN-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02378, Vitamin D3 receptor
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000025 | HEK-293T | Homo sapiens (Human) | 1 |
| 1 |
LD50 = 16700 nM
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TI
LI
LO
TS
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